N-[4-[[1-(aminomethyl)-4-bicyclo[2.2.2]octanyl]methylamino]-3-nitro-phenyl]sulfonyl-4-(8-azaspiro[4.5]decan-8-yl)benzamide

Systemtic Name: N-[4-[[1-(aminomethyl)-4-bicyclo[2.2.2]octanyl]methylamino]-3-nitro-phenyl]sulfonyl-4-(8-azaspiro[4.5]decan-8-yl)benzamide Openeye Name: N-[4-[[1-(aminomethyl)-4-bicyclo[2.2.2]octanyl]methylamino]-3-nitro-phenyl]sulfonyl-4-(8-azaspiro[4.5]decan-8-yl)benzamide CAS Name: N-[4-[[1-(aminomethyl)-4-bicyclo[2.2.2]octanyl]methylamino]-3-nitrophenyl]sulfonyl-4-(8-azaspiro[4.5]decan-8-yl)benzamide IUPAC Name: N-[4-[[1-(aminomethyl)-4-bicyclo[2.2.2]octanyl]methylamino]-3-nitrophenyl]sulfonyl-4-(8-azaspiro[4.5]decan-8-yl)benzamide Traditional Name: N-[4-[[1-(aminomethyl)-4-bicyclo[2.2.2]octanyl]methylamino]-3-nitro-phenyl]sulfonyl-4-(8-azaspiro[4.5]decan-8-yl)benzamide Formula: C32H43N5O5S MolecularWeight: 609.77932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCC56CCC(CC5)(CC6)CN)[N+](=O)[O-]

Isomeric SMILES

C1CCC2(C1)CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCC56CCC(CC5)(CC6)CN)[N+](=O)[O-]

InChI

InChI=1S/C32H43N5O5S/c33-22-31-11-14-32(15-12-31,16-13-31)23-34-27-8-7-26(21-28(27)37(39)40)43(41,42)35-29(38)24-3-5-25(6-4-24)36-19-17-30(18-20-36)9-1-2-10-30/h3-8,21,34H,1-2,9-20,22-23,33H2,(H,35,38)