N-[(4-propan-2-yloxyphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-propan-2-yloxyphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-propan-2-yloxyphenyl)methyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-propan-2-yloxyphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-isopropoxybenzyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C25H33N5O4S MolecularWeight: 499.62562

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC(C)C)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC(C)C)N=N1

InChI

InChI=1S/C25H33N5O4S/c1-4-13-30-24-10-9-22(16-23(24)27-28-30)35(32,33)29-14-11-20(12-15-29)25(31)26-17-19-5-7-21(8-6-19)34-18(2)3/h5-10,16,18,20H,4,11-15,17H2,1-3H3,(H,26,31)