N-[(4-cyanophenyl)methyl]-N'-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)carbonyl-azepane-1-carbohydrazide

Systemtic Name: N-[(4-cyanophenyl)methyl]-N'-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)carbonyl-azepane-1-carbohydrazide Openeye Name: N-[(4-cyanophenyl)methyl]-N'-[1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]azepane-1-carbohydrazide CAS Name: N-[(4-cyanophenyl)methyl]-N'-[[1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-1-azepanecarbohydrazide IUPAC Name: N-[(4-cyanophenyl)methyl]-N'-(1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl)azepane-1-carbohydrazide Traditional Name: N-(4-cyanobenzyl)-N'-[1-(2-naphthylsulfonyl)prolyl]azepane-1-carbohydrazide Formula: C30H33N5O4S MolecularWeight: 559.67912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C#N)NC(=O)C3CCCN3S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C#N)NC(=O)C3CCCN3S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H33N5O4S/c31-21-23-11-13-24(14-12-23)22-34(30(37)33-17-5-1-2-6-18-33)32-29(36)28-10-7-19-35(28)40(38,39)27-16-15-25-8-3-4-9-26(25)20-27/h3-4,8-9,11-16,20,28H,1-2,5-7,10,17-19,22H2,(H,32,36)