N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(8-azaspiro[4.5]decan-8-yl)benzamide

Systemtic Name: N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(8-azaspiro[4.5]decan-8-yl)benzamide Openeye Name: N-[4-[[5-amino-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(8-azaspiro[4.5]decan-8-yl)benzamide CAS Name: N-[4-[[6-amino-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(8-azaspiro[4.5]decan-8-yl)benzamide IUPAC Name: N-[4-[(6-amino-1-phenylsulfanylhexan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-(8-azaspiro[4.5]decan-8-yl)benzamide Traditional Name: N-[4-[[5-amino-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(8-azaspiro[4.5]decan-8-yl)benzamide Formula: C34H43N5O5S2 MolecularWeight: 665.86572

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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)NC(CCCCN)CSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2(C1)CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCCCN)CSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C34H43N5O5S2/c35-21-7-4-8-27(25-45-29-9-2-1-3-10-29)36-31-16-15-30(24-32(31)39(41)42)46(43,44)37-33(40)26-11-13-28(14-12-26)38-22-19-34(20-23-38)17-5-6-18-34/h1-3,9-16,24,27,36H,4-8,17-23,25,35H2,(H,37,40)