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(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(phenylmethyl)prop-2-enamide
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(phenylmethyl)prop-2-enamide
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Descriptors Computed from Structure
Canonical SMILES:
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NCC3=CC=CC=C3
Isomeric SMILES
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C22H26N2O3S/c25-22(23-18-20-8-4-3-5-9-20)15-12-19-10-13-21(14-11-19)28(26,27)24-16-6-1-2-7-17-24/h3-5,8-15H,1-2,6-7,16-18H2,(H,23,25)/b15-12+
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