3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(pyrrolidinomethyl)benzyl]propionamide Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C27H37N3O3S/c31-27(28-21-24-7-9-25(10-8-24)22-29-17-5-6-18-29)16-13-23-11-14-26(15-12-23)34(32,33)30-19-3-1-2-4-20-30/h7-12,14-15H,1-6,13,16-22H2,(H,28,31)